2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C25H26N3O4S+ MolecularWeight: 464.55664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4S/c1-30-21-13-18(14-22(31-2)24(21)32-3)26-23(29)16-33-25-27-19-11-7-8-12-20(19)28(25)15-17-9-5-4-6-10-17/h4-14H,15-16H2,1-3H3,(H,26,29)/p+1